Effects of Vacancy Cluster Defects on Electrical and Thermodynamic Properties of Silicon Crystals
المؤلفون المشاركون
المصدر
العدد
المجلد 2014، العدد 2014 (31 ديسمبر/كانون الأول 2014)، ص ص. 1-8، 8ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2014-01-12
دولة النشر
مصر
عدد الصفحات
8
التخصصات الرئيسية
الطب البشري
تكنولوجيا المعلومات وعلم الحاسوب
الملخص EN
A first-principle plane-wave pseudopotential method based on the density function theory (DFT) was employed to investigate the effects of vacancy cluster (VC) defects on the band structure and thermoelectric properties of silicon (Si) crystals.
Simulation results showed that various VC defects changed the energy band and localized electron density distribution of Si crystals and caused the band gap to decrease with increasing VC size.
The results can be ascribed to the formation of a defect level produced by the dangling bonds, floating bonds, or high-strain atoms surrounding the VC defects.
The appearance of imaginary frequencies in the phonon spectrum of defective Si crystals indicates that the defect-region structure is dynamically unstable and demonstrates phase changes.
The phonon dispersion relation and phonon density of state were also investigated using density functional perturbation theory.
The obtained Debye temperature θ D for a perfect Si crystal had a minimum value of 448 K at T = 42 K and a maximum value of 671 K at the high-temperature limit, which is consistent with the experimental results reported by Flubacher.
Moreover, the Debye temperature decreased with increases in the VC size.
VC defects had minimal effects on the heat capacity (C v) value when temperatures were below 150 K.
As the temperature was higher than 150 K, the heat capacity gradually increased with increasing temperature until it achieved a constant value of 11.8 cal/cell·K.
The heat capacity significantly decreased as the VC size increased.
For a 2 × 2 × 2 superlattice Si crystal containing a hexagonal ring VC (HRVC10), the heat capacity decreased by approximately 17%.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Huang, Pei-Hsing& Lu, Chi-Ming. 2014. Effects of Vacancy Cluster Defects on Electrical and Thermodynamic Properties of Silicon Crystals. The Scientific World Journal،Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-1051395
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Huang, Pei-Hsing& Lu, Chi-Ming. Effects of Vacancy Cluster Defects on Electrical and Thermodynamic Properties of Silicon Crystals. The Scientific World Journal No. 2014 (2014), pp.1-8.
https://search.emarefa.net/detail/BIM-1051395
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Huang, Pei-Hsing& Lu, Chi-Ming. Effects of Vacancy Cluster Defects on Electrical and Thermodynamic Properties of Silicon Crystals. The Scientific World Journal. 2014. Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-1051395
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1051395
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
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